N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide

C28H23N3O2 — CID 100762045

IUPACN-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccc3ccccc23)no1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23N3O2/c32-25(29-27(21-11-3-1-4-12-21)22-13-5-2-6-14-22)18-19-26-30-28(31-33-26)24-17-9-15-20-10-7-8-16-23(20)24/h1-17,27H,18-19H2,(H,29,32)
InChIKeyUKJZRYOJQTZPJO-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.73
Rot. Bonds7

About N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide

N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 100762045) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID100762045
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC NameN-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2cccc3ccccc23)no1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H23N3O2/c32-25(29-27(21-11-3-1-4-12-21)22-13-5-2-6-14-22)18-19-26-30-28(31-33-26)24-17-9-15-20-10-7-8-16-23(20)24/h1-17,27H,18-19H2,(H,29,32)
InChIKeyUKJZRYOJQTZPJO-UHFFFAOYSA-N
XLogP5.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
N-[(2S)-butan-2-yl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761242
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide
CID 133244418
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50968169
N-benzhydryl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756426
(2S)-2-[3-[3-(1H-indol-4-yl)-1,2,4-oxadiazol-5-yl]propanoylamino]-2-phenylacetic acid
CID 91639967
N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761277
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 133209775
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 133209724

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 100762045) is N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2cccc3ccccc23)no1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is UKJZRYOJQTZPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c32-25(29-27(21-11-3-1-4-12-21)22-13-5-2-6-14-22)18-19-26-30-28(31-33-26)24-17-9-15-20-10-7-8-16-23(20)24/h1-17,27H,18-19H2,(H,29,32).
What are the key properties of N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 433.51 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 100762045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).